{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.19107 7.642237 7.302093 7.05496 6.860743 6.70073 6.564659 6.446289 6.34154 6.247598 6.162441 6.084565 6.012822 5.946317 5.884336 5.826304 5.771746 5.72027 5.671547 5.625297 5.581281 5.539293 5.499155 5.46071 5.421844 5.381792 5.34048 5.297826 5.253739 5.208121 5.16086 5.111835 5.060908 5.007926 4.952715 4.895081 4.8348 4.771619 4.705242 4.635331 4.561487 4.483241 4.400035 4.311197 4.21591 4.113163 4.001688 3.879863 3.745568 3.595956 3.427078 3.233229 3.005718 2.73035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.191070000000001e-10 7.642237e-10 7.302093000000001e-10 7.054960000000001e-10 6.860743e-10 6.700730000000001e-10 6.564659e-10 6.446289e-10 6.341540000000001e-10 6.247598000000001e-10 6.162441000000001e-10 6.084565e-10 6.012822e-10 5.946317e-10 5.884336e-10 5.826304e-10 5.771746e-10 5.72027e-10 5.671547000000001e-10 5.625297e-10 5.581281e-10 5.539293e-10 5.499155e-10 5.46071e-10 5.421844e-10 5.381792e-10 5.34048e-10 5.297826e-10 5.253739e-10 5.208121e-10 5.16086e-10 5.111835000000001e-10 5.060908000000001e-10 5.007926000000001e-10 4.952715e-10 4.895081e-10 4.834800000000001e-10 4.771619e-10 4.705242e-10 4.635331e-10 4.5614869999999997e-10 4.4832409999999997e-10 4.400035e-10 4.311197e-10 4.21591e-10 4.1131630000000004e-10 4.001688e-10 3.879863e-10 3.745568e-10 3.595956e-10 3.427078e-10 3.233229e-10 3.005718e-10 2.7303500000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.18715 1.48787 1.70384 1.87403 2.01425 2.13278 2.23457 2.32288 2.39998 2.46756 2.52688 2.57894 2.62452 2.66427 2.69874 2.72838 2.75356 2.77464 2.79188 2.80555 2.81586 2.82302 2.8272 2.82856 2.8271 2.82237 2.81381 2.80071 2.78226 2.75748 2.72517 2.68389 2.6319 2.56704 2.48665 2.38743 2.26524 2.11485 1.92954 1.70068 1.41697 1.06345 0.62 0.0591333 -0.657451 -1.5843 -2.80108 -4.42761 -6.65049 -9.77279 -14.3127 -21.2154 -32.3553 -51.8937 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9020239910530998e-19 2.38383054842958e-19 2.72985263607456e-19 3.00252707741502e-19 3.2271842850345e-19 3.4170902814625195e-19 3.58017584103738e-19 3.72166405958592e-19 3.8451918780673196e-19 3.95346697499304e-19 4.0485080929219193e-19 4.1319174084879594e-19 4.2049446194656797e-19 4.26863114066718e-19 4.32385816924116e-19 4.37134668467292e-19 4.411689492317039e-19 4.44546337576176e-19 4.473084900931919e-19 4.4949866555187005e-19 4.511505096615239e-19 4.522976681314679e-19 4.529673779644799e-19 4.531852739867039e-19 4.5295135619814e-19 4.521935266502579e-19 4.50822063451554e-19 4.4872321206101395e-19 4.45767196171284e-19 4.41797002472232e-19 4.36620369767778e-19 4.3000658462262595e-19 4.2167686830245994e-19 4.11285150654336e-19 3.9840525269360998e-19 3.82508456131062e-19 3.6293145984021595e-19 3.3883632544149e-19 3.09146390236836e-19 2.7247897579111196e-19 2.27023622507898e-19 1.7038347414273e-19 9.9334951308e-20 9.47419915513122e-21 -1.053352630199934e-19 -2.5383284412462e-19 -4.48782492596472e-19 -7.093813286464739e-19 -1.0655259682650659e-18 -1.565773578698886e-18 -2.2931473509451796e-18 -3.3990818160963595e-18 -5.183890564606019e-18 -8.31428735918058e-18 ] } }